Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges von English, Niall J., MacElroy, J.M.D.

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Silicon-bridged triphenylamine-based organic dyes for efficient dye-sensitised solar cells von Lyons, Ciaran, Dev, Pratibha, Maji, Pathik, Rathi, Neelima, Surolia, Praveen K., Byrne, Owen, Xiao, Xinxin, English, Niall J., Magner, Edmond, MacElroy, J.M.D., Thampi, K. Ravindranathan

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Spatial distribution of adsorbed water layers at the TiO2 rutile and anatase interfaces von Kavathekar, Ritwik S., English, Niall J., MacElroy, J.M.D.

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Perspectives on atmospheric CO2 fixation in inorganic and biomimetic structures von English, Niall J., El-Hendawy, Morad M., Mooney, Damian A., MacElroy, J.M.D.

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The influence of Ti- and Si-doping on the structure, morphology and photo-response properties of α-Fe2O3 for efficient water-splitting: Insights from experiment and first-principle... von Rahman, Mahfujur, Wadnerkar, Nitin, English, Niall J., MacElroy, J.M.D.

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On the origin of transport resistances within carbon molecular sieves von MacElroy, J.M.D., Friedman, S.P., Seaton, N.A.

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Experimental and modelling studies of CO2/N2 mixture separations using amine functionalised silicas von Tsalaporta, E., Brady, N., MacElroy, J. M. D.

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Towards the design of novel boron- and nitrogen-substituted ammonia-borane and bifunctional arene ruthenium catalysts for hydrogen storage von Bandaru, Sateesh, English, Niall J., Phillips, Andrew D., MacElroy, J.M.D.

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Organic Dyes Containing Coplanar Dihexyl-Substituted Dithienosilole Groups for Efficient Dye-Sensitised Solar Cells von Magner, Edmond, English, Niall J., Thampi, K. Ravindranathan, Yella, Aswani, MacElroy, J. M. D., Maji, Pathik, Surolia, Praveen K., Byrne, Owen, Dev, Pratibha, Rathi, Neelima, Lyons, Ciaran, Graetzel, Michael

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Nonequilibrium molecular dynamics simulation of a model carbon membrane separation of CH4/H2 mixtures von MacElroy, J.M.D., Boyle, M.J.

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Molecular dynamics of polystyrene solutions in microwave fields von Purdue, Mark J., MacElroy, J. M. D., O'Shea, D. F., Okuom, Macduff O., Blum, Frank D.

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Computer simulation of moderately dense hard-sphere fluids and mixtures in microcapillaries von MacElroy, J.M.D., Suh, S.-H.

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A comparative study of the properties of polar and nonpolar solvent/solute/polystyrene solutions in microwave fields via molecular dynamics von Purdue, Mark J., MacElroy, J. M. D., O'Shea, D. F., Okuom, Macduff O., Blum, Frank D.

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Nonequilibrium molecular dynamics simulation of a model carbon membrane separation of CH 4/H 2 mixtures von MacElroy, J.M.D., Boyle, M.J.

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Self-diffusion in a fluid confined within a model nanopore structure von MacElroy, J.M.D., Pozhar, L.A., Suh, S.-H.

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Equilibrium and nonequilibrium molecular dynamics studies of diffusion in model one-dimensional micropores von MacElroy, J.M.D, Suh, S.-H

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Computer simulation of diffusion within and through membranes using nonequilibrium molecular dynamics von MacElroy, J. M. Don

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Osmotic Stresses and Wetting by Polymer Solutions von Ybarra, R. M, Neogi, P, MacElroy, J. M. D

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Thermodynamics of Irreversible Processes: Applications to Diffusion and Rheology von MacElroy, J.M.D.

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Molecular dynamics simulation of hindered diffusion in microcapillaries von Suh, S.-H., MacElroy, J.M.D.

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